SCHEMBL9327664

SCHEMBL9327664

CCCOc1ccc(OC(=O)NC)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.65
FAAH O00519 12/20 0.54
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
LTA4H P09960 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12414160 0.86 GAA (0.49) PLK1FAAH
SCHEMBL9326201 0.85 PLK1 (0.62) PLK1FAAHLMNACYP1A2CYP2C19
SCHEMBL12417397 0.84 MAPT (0.51) PLK1FAAH
SCHEMBL12680148 0.83 PLK1 (0.49) PLK1FAAHKMT2A
SCHEMBL14753644 0.83 FAAH (0.49) PLK1FAAHL3MBTL1
SCHEMBL12893245 0.82 ALDH1A1 (0.51) PLK1LMNAMAPK1KMT2A
SCHEMBL5964408 0.79 L3MBTL1 (0.56) PLK1L3MBTL1LMNACYP1A2MAPK1
SCHEMBL8984333 0.79 L3MBTL1 (0.56) PLK1FAAHL3MBTL1LMNACYP1A2
SCHEMBL5964415 0.79 L3MBTL1 (0.59) PLK1FAAHL3MBTL1LMNACYP1A2
SCHEMBL11962158 0.79 PLK1 (1.00) PLK1L3MBTL1LMNACYP2C19KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5365691-A Methods and agents for combating cockroaches BAYER AKTIENGESELLSCHAFT (DE) 1994-11-22 US disclosed